methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate

C22H19FN4O2 — CID 135308264

IUPACmethyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc3cnn(CCCc4ccc(F)cc4)c3cn2)c1
InChIInChI=1S/C22H19FN4O2/c1-29-22(28)16-8-9-24-19(11-16)20-12-17-13-26-27(21(17)14-25-20)10-2-3-15-4-6-18(23)7-5-15/h4-9,11-14H,2-3,10H2,1H3
InChIKeyRDRHRFUQTJAORY-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.05
Rot. Bonds6

About methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate

methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate (PubChem CID 135308264) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate
PubChem CID135308264
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Namemethyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cc3cnn(CCCc4ccc(F)cc4)c3cn2)c1
InChIInChI=1S/C22H19FN4O2/c1-29-22(28)16-8-9-24-19(11-16)20-12-17-13-26-27(21(17)14-25-20)10-2-3-15-4-6-18(23)7-5-15/h4-9,11-14H,2-3,10H2,1H3
InChIKeyRDRHRFUQTJAORY-UHFFFAOYSA-N
XLogP4.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate (CID 135308264) is methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2cc3cnn(CCCc4ccc(F)cc4)c3cn2)c1.
What is the InChIKey of methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate?
The InChIKey is RDRHRFUQTJAORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-29-22(28)16-8-9-24-19(11-16)20-12-17-13-26-27(21(17)14-25-20)10-2-3-15-4-6-18(23)7-5-15/h4-9,11-14H,2-3,10H2,1H3.
What are the key properties of methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate?
methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate has a molecular weight of 390.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylate is sourced from PubChem (CID 135308264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).